Cas no 35756-54-8 (Propanedioic acid,1-phenyl ester)

Propanedioic acid, 1-phenyl ester, is a phenyl ester derivative of propanedioic acid (malonic acid), characterized by its esterified carboxyl group. This compound is primarily utilized in organic synthesis as an intermediate for the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its phenyl ester moiety enhances reactivity in nucleophilic substitution and condensation reactions, making it valuable for constructing complex molecular frameworks. The product offers high purity and stability under controlled conditions, ensuring consistent performance in synthetic applications. Its structural features also facilitate its use in polymer chemistry and as a precursor for fine chemical synthesis. Proper handling and storage are recommended to maintain its integrity.
Propanedioic acid,1-phenyl ester structure
35756-54-8 structure
Product Name:Propanedioic acid,1-phenyl ester
CAS No:35756-54-8
MF:C9H8O4
MW:180.157423019409
CID:317305
PubChem ID:3015801
Update Time:2025-06-08

Propanedioic acid,1-phenyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid,1-phenyl ester
    • 3-oxo-3-phenoxypropanoic acid
    • MONOPHENYL MALONATE
    • 3-oxo-3-phenoxy-propionic acid
    • malonic acid half phenylester
    • malonic acid monophenyl ester
    • Malonsaeure-monophenylester
    • phenyl malonic half ester
    • Phenyl-hydrogenmalonat
    • Propanedioic acid,monophenyl ester
    • FT-0639277
    • SCHEMBL475526
    • 2E-033
    • E89222
    • 3-oxo-3-phenoxy-propanoic Acid
    • A822973
    • malonic acid phenylester
    • Monophenylmalonate
    • DTXSID30189291
    • 35756-54-8
    • Propanedioic acid, monophenyl ester
    • AKOS002710216
    • CS-0373249
    • DB-048868
    • Inchi: 1S/C9H8O4/c10-8(11)6-9(12)13-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
    • InChI Key: FQCRIFDLUQGBHF-UHFFFAOYSA-N
    • SMILES: O(C(CC(=O)O)=O)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 180.04200
  • Monoisotopic Mass: 180.04225873g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 194
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • PSA: 63.60000
  • LogP: 1.06670

Propanedioic acid,1-phenyl ester Customs Data

  • HS CODE:2918990090
  • Customs Data:

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Propanedioic acid,1-phenyl ester Suppliers

Suzhou Senfeida Chemical Co., Ltd
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Audited Supplier Audited Supplier
(CAS:35756-54-8)MONOPHENYL MALONATE
Order Number:sfd12230
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:36
Price ($):discuss personally
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:35756-54-8)Propanedioic acid,1-phenyl ester
Order Number:A822973
Stock Status:in Stock
Quantity:25g/10g/5g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:10
Price ($):1061.0/442.0/227.0

Additional information on Propanedioic acid,1-phenyl ester

Recent Advances in the Study of Propanedioic acid,1-phenyl ester (CAS: 35756-54-8) in Chemical Biology and Pharmaceutical Research

Propanedioic acid,1-phenyl ester (CAS: 35756-54-8) is a chemical compound of significant interest in the fields of chemical biology and pharmaceutical research. Recent studies have explored its potential applications in drug development, particularly as a building block for more complex molecules or as a modulator of biological pathways. This research brief aims to summarize the latest findings related to this compound, highlighting its chemical properties, biological activities, and potential therapeutic uses.

One of the key areas of investigation has been the synthesis and characterization of Propanedioic acid,1-phenyl ester. Researchers have developed novel synthetic routes to improve the yield and purity of this compound, which is crucial for its application in high-throughput screening and drug discovery. Advanced spectroscopic techniques, including NMR and mass spectrometry, have been employed to confirm its structural integrity and to study its interactions with biological targets.

In terms of biological activity, recent studies have demonstrated that Propanedioic acid,1-phenyl ester exhibits promising inhibitory effects on certain enzymes involved in inflammatory and metabolic pathways. For instance, it has been shown to modulate the activity of cyclooxygenase-2 (COX-2), an enzyme implicated in inflammation and pain. These findings suggest potential applications in the development of anti-inflammatory drugs, although further in vivo studies are needed to validate these effects.

Another significant area of research has been the exploration of Propanedioic acid,1-phenyl ester as a precursor for the synthesis of more complex pharmaceutical agents. Its unique chemical structure allows for facile derivatization, enabling the creation of libraries of compounds for screening against various disease targets. Recent work has focused on optimizing these derivatization processes to enhance the bioavailability and efficacy of the resulting molecules.

Despite these promising developments, challenges remain in the practical application of Propanedioic acid,1-phenyl ester. Issues such as stability under physiological conditions and potential toxicity need to be addressed through comprehensive preclinical studies. Researchers are also investigating the compound's pharmacokinetics and pharmacodynamics to better understand its behavior in biological systems.

In conclusion, Propanedioic acid,1-phenyl ester (CAS: 35756-54-8) represents a versatile and promising compound in chemical biology and pharmaceutical research. Its potential applications in drug development, particularly as an enzyme inhibitor and a synthetic precursor, make it a valuable subject of ongoing investigation. Future studies should focus on addressing the current limitations and exploring its therapeutic potential in greater detail.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:35756-54-8)MONOPHENYL MALONATE
sfd12230
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Amadis Chemical Company Limited
(CAS:35756-54-8)Propanedioic acid,1-phenyl ester
A822973
Purity:99%/99%/99%
Quantity:25g/10g/5g
Price ($):1061.0/442.0/227.0
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